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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10O8
Molecular Weight 330.2458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4?-Di-O-methylellagic acid

SMILES

COC1=C(O)C2=C3C(=C1)C(=O)OC4=C(OC)C(O)=CC(C(=O)O2)=C34

InChI

InChIKey=SUBZWRYOAOVYOC-UHFFFAOYSA-N
InChI=1S/C16H10O8/c1-21-8-4-6-9-10-5(15(19)23-13(9)11(8)18)3-7(17)12(22-2)14(10)24-16(6)20/h3-4,17-18H,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H10O8
Molecular Weight 330.2458
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:49:17 GMT 2025
Edited
by admin
on Wed Apr 02 05:49:17 GMT 2025
Record UNII
2E2EZ9Z3BH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,8-Dihydroxy-3,7-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
Preferred Name English
3,4?-Di-O-methylellagic acid
Common Name English
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,8-dihydroxy-3,7-dimethoxy-
Systematic Name English
6,14-Dimethoxy-7,13-bis(oxidanyl)-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(14),1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20206108
Created by admin on Wed Apr 02 05:49:17 GMT 2025 , Edited by admin on Wed Apr 02 05:49:17 GMT 2025
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PUBCHEM
5491816
Created by admin on Wed Apr 02 05:49:17 GMT 2025 , Edited by admin on Wed Apr 02 05:49:17 GMT 2025
PRIMARY
FDA UNII
2E2EZ9Z3BH
Created by admin on Wed Apr 02 05:49:17 GMT 2025 , Edited by admin on Wed Apr 02 05:49:17 GMT 2025
PRIMARY
CAS
57499-59-9
Created by admin on Wed Apr 02 05:49:17 GMT 2025 , Edited by admin on Wed Apr 02 05:49:17 GMT 2025
PRIMARY